N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-tert-butylphenyl)-2-cyano-prop-2-enamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(4-tert-butylphenyl)-2-cyano-prop-2-enamide Openeye Name: 3-(4-tert-butylphenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide CAS Name: 3-(4-tert-butylphenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]-2-propenamide IUPAC Name: 3-(4-tert-butylphenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide Traditional Name: 3-(4-tert-butylphenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]acrylamide Formula: C21H20F2N2OS MolecularWeight: 386.458106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C21H20F2N2OS/c1-21(2,3)16-6-4-14(5-7-16)12-15(13-24)19(26)25-17-8-10-18(11-9-17)27-20(22)23/h4-12,20H,1-3H3,(H,25,26)